Franklin

X-ray charge densities and chemical bonding [electronic resource] / Philip Coppens.

Author/Creator:
Coppens, Philip.
Publication:
[Chester, England] : International Union of Crystallography ; Oxford ; New York : Oxford University Press, 1997.
Format/Description:
Book
1 online resource (373 p.)
Series:
International Union of Crystallography texts on crystallography ; 4.
International Union of Crystallography texts on crystallography ; 4
Status/Location:
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Subjects:
X-ray crystallography.
Chemical bonds.
Electron distribution.
Form/Genre:
Electronic books.
Language:
English
Summary:
This book deals with the electron density distribution in molecules and solids as obtained experimentally by X-ray diffraction. It is a comprehensive treatment of the methods involved, and the interpretation of the experimental results in terms of chemical bonding and intermolecular interactions. Inorganic and organic solids as well as metals are covered in the chapters dealing with specific systems.
Contents:
Contents; Chapter 1 Scattering of X-rays and Neutrons; Chapter 2 The Effect of Thermal Vibrations on the Intensities of the Diffracted Beams; Chapter 3 Chemical Bonding and the X-ray Scattering Formalism; Chapter 4 Least-Squares Methods and Their Use in Charge Density Analysis; Chapter 5 Fourier Methods and Maximum Entropy Enhancement; Chapter 6 Space Partitioning and Topological Analysis of the Total Charge Density; Chapter 7 The Electrostatic Moments of a Charge Distribution; Chapter 8 X-ray Diffraction and the Electrostatic Potential
Chapter 9 The Electron Density and the Lattice Energy of CrystalsChapter 10 Charge Density Studies of Transition Metal Compounds; Chapter 11 The Charge Density in Extended Solids; Chapter 12 Electron Density Studies of Molecular Crystals; Appendix A: Tensor Notation; Appendix B: Symmetry and Symmetry Restrictions; Appendix C: The 50% Probability Ellipsoid; Appendix D: Spherical Harmonic Functions; Appendix E: Products of Spherical Harmonic Functions; Appendix F: Energy-Optimized Single-ΞΆ Slater Values for Subshells of Isolated Atoms; Appendix G: Fourier-Bessel Transforms
Appendix H: Evaluation of the Integrals A[sub(N)],[sub(l)[sub(1)]][sub(l)[sub(2)]][sub(k)](Z, R) Occurring in the Expression for the Peripheral Contribution to the Electrostatic PropertiesAppendix I: The Matrix M[sup(-1)] Relating d-Orbital Occupancies P[sub(ij)] to Multipole Populations P[sub(lmp)]; Appendix J: The Interaction Between Two Nonoverlapping Charge Distributions; Appendix K: Conversion Factors; Appendix L: Selected Exercises; References; Index
Notes:
Previously issued in print: 1997.
Includes bibliographical references (p. 328-346) and index.
Contributor:
International Union of Crystallography, issuing body.
ISBN:
0-19-756087-3
1-280-52811-7
9786610528110
0-19-535694-2
1-4294-1461-8
OCLC:
476016223